methyl 1-[[3-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]indol-1-yl]methyl]pyridin-1-ium-3-carboxylate

Systemtic Name: methyl 1-[[3-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]indol-1-yl]methyl]pyridin-1-ium-3-carboxylate Openeye Name: methyl 1-[[3-[(E)-3-methoxy-3-oxo-prop-1-enyl]indol-1-yl]methyl]pyridin-1-ium-3-carboxylate CAS Name: 1-[[3-[(E)-3-methoxy-3-oxoprop-1-enyl]-1-indolyl]methyl]-3-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[[3-[(E)-3-methoxy-3-oxoprop-1-enyl]indol-1-yl]methyl]pyridin-1-ium-3-carboxylate Traditional Name: 1-[[3-[(E)-3-keto-3-methoxy-prop-1-enyl]indol-1-yl]methyl]pyridin-1-ium-3-carboxylic acid methyl ester Formula: C20H19N2O4+ MolecularWeight: 351.37586

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=CN(C2=CC=CC=C21)C[N+]3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

COC(=O)/C=C/C1=CN(C2=CC=CC=C21)C[N+]3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C20H19N2O4/c1-25-19(23)10-9-15-13-22(18-8-4-3-7-17(15)18)14-21-11-5-6-16(12-21)20(24)26-2/h3-13H,14H2,1-2H3/q+1/b10-9+